benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate

C20H22N2O5 — CID 60552080

IUPACbenzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
SMILESO=C(CNC(=O)C1CCCCN1C(=O)c1ccco1)OCc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-18(27-14-15-7-2-1-3-8-15)13-21-19(24)16-9-4-5-11-22(16)20(25)17-10-6-12-26-17/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,21,24)
InChIKeyYZDHMOASHDDQHQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.13
Rot. Bonds6

About benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate

benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate (PubChem CID 60552080) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
PubChem CID60552080
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namebenzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
SMILESO=C(CNC(=O)C1CCCCN1C(=O)c1ccco1)OCc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-18(27-14-15-7-2-1-3-8-15)13-21-19(24)16-9-4-5-11-22(16)20(25)17-10-6-12-26-17/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,21,24)
InChIKeyYZDHMOASHDDQHQ-UHFFFAOYSA-N
XLogP2.13
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
benzyl 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]acetate
CID 23278389
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate
CID 96519972
(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 95587013
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate (CID 60552080) is benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate is O=C(CNC(=O)C1CCCCN1C(=O)c1ccco1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate?
The InChIKey is YZDHMOASHDDQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-18(27-14-15-7-2-1-3-8-15)13-21-19(24)16-9-4-5-11-22(16)20(25)17-10-6-12-26-17/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,21,24).
What are the key properties of benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate?
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 60552080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).